2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine

C16H23N5O2S — CID 71800080

IUPAC2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2cc(-n3cccc3)nc(C)n2)CC1
InChIInChI=1S/C16H23N5O2S/c1-3-12-24(22,23)21-10-8-20(9-11-21)16-13-15(17-14(2)18-16)19-6-4-5-7-19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyPHBJEDJUYGPKHC-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.44
Rot. Bonds5

About 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine

2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine (PubChem CID 71800080) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine
PubChem CID71800080
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2cc(-n3cccc3)nc(C)n2)CC1
InChIInChI=1S/C16H23N5O2S/c1-3-12-24(22,23)21-10-8-20(9-11-21)16-13-15(17-14(2)18-16)19-6-4-5-7-19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyPHBJEDJUYGPKHC-UHFFFAOYSA-N
XLogP1.44
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 56700168
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342293
4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50947472
N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 50947737
4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 27637479
2-methyl-4-(trifluoromethyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 91631653
2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342554
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyrimidine
CID 122341206
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342549
2-methyl-1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122342201
4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-phenoxypyrimidine
CID 121035218
6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122342567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine?
The IUPAC name of 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine (CID 71800080) is 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine?
The canonical SMILES for 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine is CCCS(=O)(=O)N1CCN(c2cc(-n3cccc3)nc(C)n2)CC1.
What is the InChIKey of 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine?
The InChIKey is PHBJEDJUYGPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-12-24(22,23)21-10-8-20(9-11-21)16-13-15(17-14(2)18-16)19-6-4-5-7-19/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine?
2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine has a molecular weight of 349.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 71800080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).